SpectraBase Spectrum ID |
Gjl5zv2PnKl |
Name |
Isophthalic acid, 2,3-dichlorophenyl isohexyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
394.073864520 u |
Formula |
C20H20Cl2O4 |
InChI |
InChI=1S/C20H20Cl2O4/c1-13(2)6-5-11-25-19(23)14-7-3-8-15(12-14)20(24)26-17-10-4-9-16(21)18(17)22/h3-4,7-10,12-13H,5-6,11H2,1-2H3 |
InChIKey |
JFVKTPZVFLJCKQ-UHFFFAOYSA-N |
Molecular Weight |
395.282 g/mol |
SMILES |
C1=C(C(=C(C=C1)Cl)Cl)OC(C1=CC(=CC=C1)C(OCCCC(C)C)=O)=O |